Information card for entry 4111255

Structure parameters

• Formula: C55.5 H68 F24 Mo2 N2 O8
• Calculated formula: C55.5 H68 F24 Mo2 N2 O8
• Title of publication: Synthesis of Oligoenes that Contain up to 15 Double Bonds from 1,6-Heptadiynes
• Authors of publication: Constantin Czekelius; Jillian Hafer; Zachary J. Tonzetich; Richard R. Schrock; Ronald L. Christensen; Peter Müller
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 16664 - 16675
• a: 11.0704 ± 0.0004 Å
• b: 27.1993 ± 0.001 Å
• c: 22.5569 ± 0.0009 Å
• α: 90°
• β: 90.833 ± 0.001°
• γ: 90°
• Cell volume: 6791.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No